tert-butyl 3-[(6Z)-2-azanyl-3-(hydroxymethyl)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6Z)-2-azanyl-3-(hydroxymethyl)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6Z)-2-amino-3-(hydroxymethyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6Z)-2-amino-3-(hydroxymethyl)-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6Z)-2-amino-3-(hydroxymethyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6Z)-2-amino-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-methylol-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C=CC=CC3=O)NC(=C2CO)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C/3\C=CC=CC3=O)/NC(=C2CO)N

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)29-21(28)25-10-6-7-14(12-25)16-11-18(24-20(23)17(16)13-26)15-8-4-5-9-19(15)27/h4-5,8-9,11,14,24,26H,6-7,10,12-13,23H2,1-3H3/b18-15-